2-(8-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(8-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(8-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolyl)thio]acetic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCC(=O)O

InChI

InChI=1S/C16H19NO3S/c1-4-6-11-10(2)17-15-12(7-5-8-13(15)20-3)16(11)21-9-14(18)19/h5,7-8H,4,6,9H2,1-3H3,(H,18,19)